CID 16073920

Schembl6702302

Structural Information

Molecular Formula
C20H17ClN2O3
SMILES
C=CCON1C=C(C(=O)C2=CC=CC=C21)C(=O)NCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H17ClN2O3/c1-2-11-26-23-13-17(19(24)16-5-3-4-6-18(16)23)20(25)22-12-14-7-9-15(21)10-8-14/h2-10,13H,1,11-12H2,(H,22,25)
InChIKey
GWXPVEDUQFGARD-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]-4-oxo-1-prop-2-enoxyquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

368.09277 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.10005 184.6
[M+Na]+ 391.08199 193.7
[M-H]- 367.08549 190.8
[M+NH4]+ 386.12659 197.1
[M+K]+ 407.05593 186.7
[M+H-H2O]+ 351.09003 175.6
[M+HCOO]- 413.09097 201.8
[M+CH3COO]- 427.10662 217.7
[M+Na-2H]- 389.06744 188.6
[M]+ 368.09222 189.6
[M]- 368.09332 189.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe